期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1177, 期 -, 页码 525-535出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2018.10.002
关键词
Nicotinic acid; Hantzsch reaction; Polyhydroquinoline; 1,4-Dihydropyridine; Theoretical NMR and X-ray simulation
资金
- ACECR-Production Technology Research Institute
- Omidiyeh branch of Azad University
A rapid, efficient and eco-friendly protocol has been developed for the preparation of various 1,4-dihydropyridine and polyhydroquinoline derivatives in the presence of nicotinic acid as a green and dual catalyst under solvent-free conditions. In this reaction, nicotinic acid shows a highly catalytic nature, easy to handle procedure, short reaction time, recycle exploitation and excellent isolated yields. Furthermore, the H-1 and C-13 chemical shift and X-ray spectra values together with the structural parameters of 1,4-dihydropyridine and polyhydroquinoline have been computed and the scaled values have been compared with the corresponding experimental NMR and X-ray spectra. As a result, the calculated H-1 and C-13 chemical shift and X-ray spectra show a good agreement with the experimental results. (C) 2018 Elsevier B.V. All rights reserved.
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